SCHEMBL3138809

SCHEMBL3138809

Cc1cscc1-c1ccc(N)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP2A6 P11509 7/20 0.47
CYP2B6 P20813 3/20 0.47
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2E1 P05181 1/20 0.44
BRD4 O60885 1/20 0.43
HDAC1 Q13547 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
G6PD P11413 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23137331 0.80 ALOX15 (0.64) CYP3A4ALOX15HSD17B10CYP2C19CYP2D6
SCHEMBL3137577 0.79 CYP3A4 (0.53) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3141959 0.79 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10BRD4HDAC1
SCHEMBL26976334 0.77 ALOX15 (0.59) CYP3A4ALOX15HSD17B10CYP2C19CYP2D6
SCHEMBL3320197 0.76 CYP2A6 (0.43) CYP3A4ALOX15HSD17B10CYP2A6CYP2B6
SCHEMBL3133567 0.76 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3137327 0.76 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3139052 0.76 ALOX15 (0.48) CYP3A4ALOX15HSD17B10BRD4ESR1
SCHEMBL3137859 0.75 ALOX15 (0.44) CYP3A4ALOX15HSD17B10CYP2C9BRD4
SCHEMBL5843910 0.75 ALOX15 (0.57) CYP3A4ALOX15HSD17B10HDAC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 US claimed
CN-1997637-A Novel o-aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2007-07-11 CN claimed
EP-1768971-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-04 EP claimed
WO-2006007896-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-01-26 WO claimed
US-7641702-B2 O-Aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2010-01-05 US disclosed
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-02 US disclosed
CN-1997637-A Novel o-aminophenol derivatives and colorants containing said compounds WELLA AG (DE) 2007-07-11 CN disclosed
EP-1768971-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-04 EP disclosed
WO-2006007896-A1 NOVEL O-AMINOPHENOL DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-01-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080235882-A1 Novel O-Aminophenol Derivatives and Colorants Containing Said Compounds CBR3, KRT18, F12 CYP3A4 526/4885ALOX15 3757/4885HSD17B10 2013/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.